2,5-dibenzyl-3,6-bis-(4-oct-1-enyl-phenyl)-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione | 1227952-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 2,5-dibenzyl-3,6-bis-(4-oct-1-enyl-phenyl)-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione
• 英文别名: 2,5-dibenzyl-1,4-bis[4-[(E)-oct-1-enyl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione
• CAS: 1227952-56-8
• 化学式: C₄₈H₅₂N₂O₂
• 分子量: 688.953
• InChiKey: QVFNTFJBOJSKSM-YHARCJFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  52
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,5-dibenzyl-3,6-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione 、 反-1-辛烯-1-基硼酸 在 2-双环己基膦-2',6'-二甲氧基联苯 、 potassium phosphate 、 palladium diacetate 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 以95%的产率得到2,5-dibenzyl-3,6-bis-(4-oct-1-enyl-phenyl)-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione
  参考文献：
  名称：

  Solid-state structure and optical properties of highly fluorescent diketopyrrolopyrrole derivatives synthesized by cross-coupling reaction

  摘要：

  Diketopyrrolopyrrole (DPP) derivatives with four different substituents were synthesized by cross-coupling reactions. The DPP derivatives were investigated in terms of their solid-state structure, absorption, emission, and electrochemistry. The electron-donating property of each substituent causes a redshift of UV/vis absorption and emission in the solution state. Although all of the DPP derivatives have high quantum yields in solution, only butoxyphenyl-substituted DPP exhibits strong emission in the solid state. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.03.067

文献信息

• Solid-state structure and optical properties of highly fluorescent diketopyrrolopyrrole derivatives synthesized by cross-coupling reaction
  作者：Junpei Kuwabara、Takuya Yamagata、Takaki Kanbara

  DOI：10.1016/j.tet.2010.03.067

  日期：2010.5

  Diketopyrrolopyrrole (DPP) derivatives with four different substituents were synthesized by cross-coupling reactions. The DPP derivatives were investigated in terms of their solid-state structure, absorption, emission, and electrochemistry. The electron-donating property of each substituent causes a redshift of UV/vis absorption and emission in the solution state. Although all of the DPP derivatives have high quantum yields in solution, only butoxyphenyl-substituted DPP exhibits strong emission in the solid state. (C) 2010 Elsevier Ltd. All rights reserved.